Chemical Properties of 1,3-Benzenedicarboxylic acid, 4-hydroxy-, dimethyl ester (CAS 5985-24-0)

InChI

InChI=1S/C10H10O5/c1-14-9(12)6-3-4-8(11)7(5-6)10(13)15-2/h3-5,11H,1-2H3

InChI Key

ALBUJVBOIXVVLS-UHFFFAOYSA-N

Formula

C10H10O5

SMILES

COC(=O)c1ccc(O)c(C(=O)OC)c1

Molecular Weight¹

210.18

CAS

5985-24-0

Other Names

• dimethyl 4-hydroxyisophthalate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7567		Relay (1.0) Calculated Property
ΔfH°gas	-822.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.83	kJ/mol	Joback Calculated Property
ΔvapH°	78.57	kJ/mol	Relay (1.0) Calculated Property
IE	8.67	eV	Relay (1.0) Calculated Property
log10WS	-2.47		Relay (1.0) Calculated Property
logPoct/wat	0.965		Crippen Calculated Property
McVol	148.750	ml/mol	McGowan Calculated Property
Pc	3448.03	kPa	Joback Calculated Property
Inp	[1577.00; 1577.00]
Inp	1577.00		NIST
Inp	1577.00		NIST
Tboil	564.14	K	Relay (1.0) Calculated Property
Tc	794.68	K	Relay (1.0) Calculated Property
Tfus	373.53	K	Relay (1.0) Calculated Property
Vc	0.542	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[379.47; 433.15]	J/mol×K	[657.12; 881.18]
Cp,gas	379.47	J/mol×K	657.12	Joback Calculated Property
Cp,gas	390.28	J/mol×K	694.46	Joback Calculated Property
Cp,gas	400.29	J/mol×K	731.81	Joback Calculated Property
Cp,gas	409.55	J/mol×K	769.15	Joback Calculated Property
Cp,gas	418.08	J/mol×K	806.49	Joback Calculated Property
Cp,gas	425.93	J/mol×K	843.83	Joback Calculated Property
Cp,gas	433.15	J/mol×K	881.18	Joback Calculated Property
η	[0.0000164; 0.0005165]	Pa×s	[437.78; 657.12]
η	0.0005165	Pa×s	437.78	Joback Calculated Property
η	0.0002328	Pa×s	474.34	Joback Calculated Property
η	0.0001176	Pa×s	510.89	Joback Calculated Property
η	0.0000651	Pa×s	547.45	Joback Calculated Property
η	0.0000388	Pa×s	584.01	Joback Calculated Property
η	0.0000246	Pa×s	620.56	Joback Calculated Property
η	0.0000164	Pa×s	657.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Benzenedicarboxylic acid, 4-hydroxy-, dimethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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